(Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine

C13H23N — CID 123257867

IUPAC(Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine
SMILESC=C(/C=C\C(C)=N\CC(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-10(2)9-14-13(6)8-7-12(5)11(3)4/h7-8,10-11H,5,9H2,1-4,6H3/b8-7-,14-13+
InChIKeyWOJBMRDDQLHZHA-ISHIJUGMSA-N
MW193.33 g/mol
LogP3.87
Rot. Bonds5

About (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine

(Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine (PubChem CID 123257867) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine
PubChem CID123257867
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine
SMILESC=C(/C=C\C(C)=N\CC(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-10(2)9-14-13(6)8-7-12(5)11(3)4/h7-8,10-11H,5,9H2,1-4,6H3/b8-7-,14-13+
InChIKeyWOJBMRDDQLHZHA-ISHIJUGMSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-7-(trifluoromethyl)-2H-azepine
CID 139297391
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
CID 166976514
(4E,6Z,8Z)-8-fluoro-4,10-dimethyl-5-propan-2-yl-N-propylundeca-4,6,8-trien-2-imine
CID 169687451
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
CID 170081889
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905
(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine
CID 178135533
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine?
The IUPAC name of (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine (CID 123257867) is (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine.
What is the SMILES notation for (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine?
The canonical SMILES for (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine is C=C(/C=C\C(C)=N\CC(C)C)C(C)C.
What is the InChIKey of (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine?
The InChIKey is WOJBMRDDQLHZHA-ISHIJUGMSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)9-14-13(6)8-7-12(5)11(3)4/h7-8,10-11H,5,9H2,1-4,6H3/b8-7-,14-13+.
What are the key properties of (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine?
(Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine has a molecular weight of 193.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-5-methylidene-N-(2-methylpropyl)hept-3-en-2-imine is sourced from PubChem (CID 123257867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).